Geometry & MOs

Info

ID:	87905
PubChem CID:	49898526
Reduced:	NSO3H19C23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	566.083095
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	5.41
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-1-ylmethyl)-5-[[3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations